(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid

C11H16N10O5 — CID 11152839

IUPAC(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid
SMILESO=C(N[C@@H](CCc1nn[nH]n1)C(=O)O)N[C@@H](CCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
InChIKeyCJGKWYDINDMVEE-WDSKDSINSA-N
MW368.31 g/mol
LogP-2.52
Rot. Bonds10

About (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid

(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid (PubChem CID 11152839) has the molecular formula C11H16N10O5 and a molecular weight of 368.31 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid
PubChem CID11152839
Molecular FormulaC11H16N10O5
Molecular Weight368.31 g/mol
Exact Mass368.13
IUPAC Name(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid
SMILESO=C(N[C@@H](CCc1nn[nH]n1)C(=O)O)N[C@@H](CCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1
InChIKeyCJGKWYDINDMVEE-WDSKDSINSA-N
XLogP-2.52
TPSA224.65 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.31
LogP ≤ 5-2.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-[[(1R)-1-formyloxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]pentanoic acid
CID 90352267
2-(2H-tetrazol-5-ylmethylamino)butanoic acid
CID 115353295
(2R)-5-methoxy-5-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107827245
2-methyl-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 80541695
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 63717941
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
(2S)-2-[[5-[[2-(4-amino-2-imino-6-oxo-5H-pyrimidin-5-yl)acetyl]amino]pyridine-2-carbonyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
CID 166594603
(2S)-2-[[5-[[(Z)-(4-amino-2-imino-6-oxopyrimidin-5-ylidene)carbamoyl]amino]pyridine-2-carbonyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
CID 166594598
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
5-oxo-5-[2-(2H-tetrazol-5-yl)ethylamino]pentanoic acid
CID 129310162

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid?
The IUPAC name of (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid (CID 11152839) is (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid?
The canonical SMILES for (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid is O=C(N[C@@H](CCc1nn[nH]n1)C(=O)O)N[C@@H](CCc1nn[nH]n1)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid?
The InChIKey is CJGKWYDINDMVEE-WDSKDSINSA-N. The full InChI is InChI=1S/C11H16N10O5/c22-9(23)5(1-3-7-14-18-19-15-7)12-11(26)13-6(10(24)25)2-4-8-16-20-21-17-8/h5-6H,1-4H2,(H,22,23)(H,24,25)(H2,12,13,26)(H,14,15,18,19)(H,16,17,20,21)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid?
(2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid has a molecular weight of 368.31 g/mol, XLogP of -2.52, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-carboxy-3-(2H-tetrazol-5-yl)propyl]carbamoylamino]-4-(2H-tetrazol-5-yl)butanoic acid is sourced from PubChem (CID 11152839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).